Vitas-M small molecule compound
3-{[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK699981
SMILES OC(=O)CCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C12H16N4O4S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O4S/c1-6(2)16-8-9(15(3)11(20)14-10(8)19)13-12(16)21-5-4-7(17)18/h6H,4-5H2,1-3H3,(H,17,18)(H,14,19,20)InChIKey
CWXAAIAZPMDPCY-UHFFFAOYSA-NSynonyms
370077-64-83((3methyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3((7isopropyl3methyl26dioxo2367tetrahydro1Hpurin8yl)thio)propanoicacid
3(3METHYL26DIOXO7PROPAN2YLPURIN8YL)SULFANYLPROPANOICACID
370077648
CC(C)N1C2=C(N=C1SCCC(=O)O)N(C(=O)NC2=O)C
InChI=1SC12H16N4O4Sc16(2)1689(15(3)11(20)1410(8)19)1312(16)21547(17)18h6H45H213H3(H1718)(H141920)
MFCD01032112
OC(=O)CCSc1nc2c(n1C(C)C)c(=O)(nH)c(=O)n2C
ZINC000004730671
ZINC4730671
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